ethenylidenecyclohexane

• ChemBase ID: 143150
• Molecular Formular: C8H12
• Molecular Mass: 108.18088
• Monoisotopic Mass: 108.09390038
• SMILES: C=C=C1CCCCC1
• Canonical SMILES: C=C=C1CCCCC1
• InChI: InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h1,3-7H2
• InChIKey: HZHTYEIEGPBKKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethenylidenecyclohexane
• IUPAC Traditional name: ethenylidenecyclohexane
• Synonyms: Cyclohexylideneethylene; Ethenylidenecyclohexane; Vinylidenecyclohexane; 亚乙烯基环己烷; 亚环己基乙烯; 乙烯叉环己烷

Database IDs

• CAS Number: 5664-20-0
• PubChem SID: 162237372
• PubChem CID: 138557

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8437073
• LogD (pH = 7.4): 2.8437073
• Log P: 2.8437073
• Molar Refractivity: 36.2138 cm^3
• Polarizability: 13.991545 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 23 °C; 73.4 °F
• Density: 0.806 g/mL at 25 °C
• Refractive Index: n20/D 1.489

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 1993
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-22-51/53
• Safety Statements: 61
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302
• RID/ADR: UN 1993 3/PG 3
• Storage Temperature: -20°C

Product Information

• Purity: 90%
• Grade: technical grade
• Empirical Formula (Hill Notation): C8H12

DETAILS

Sigma Aldrich - 715018

Packaging
500 mg in glass bottle